4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid

C14H19NO4 — CID 103498313

IUPAC4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
SMILESCOc1ccc(NC(=O)C(C)C(C)C(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-8-7-11(19-4)5-6-12(8)15-13(16)9(2)10(3)14(17)18/h5-7,9-10H,1-4H3,(H,15,16)(H,17,18)
InChIKeyQBMACWASJUPJOG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.30
Rot. Bonds5

About 4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid

4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103498313) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103498313
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
SMILESCOc1ccc(NC(=O)C(C)C(C)C(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-8-7-11(19-4)5-6-12(8)15-13(16)9(2)10(3)14(17)18/h5-7,9-10H,1-4H3,(H,15,16)(H,17,18)
InChIKeyQBMACWASJUPJOG-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
CID 107028771
4-(2-fluoro-5-methoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498802
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
4-(3-methoxy-2,4-dimethylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497339
2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
CID 55129910
(2S,3S)-2-[(4-methoxy-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 62871543
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2,3-dimethyl-4-(2-methylanilino)-4-oxobutanoic acid;methane
CID 158872294
2-(N'-hydroxycarbamimidoyl)-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
CID 76951056
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid (CID 103498313) is 4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid is COc1ccc(NC(=O)C(C)C(C)C(=O)O)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is QBMACWASJUPJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-7-11(19-4)5-6-12(8)15-13(16)9(2)10(3)14(17)18/h5-7,9-10H,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid?
4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103498313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).